1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]pyrrolidin-3-amine

C12H19FN2 — CID 142337278

IUPAC1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]pyrrolidin-3-amine
SMILESNC1CCN(CCC2=CCC(F)C=C2)C1
InChIInChI=1S/C12H19FN2/c13-11-3-1-10(2-4-11)5-7-15-8-6-12(14)9-15/h1-3,11-12H,4-9,14H2
InChIKeyAPYRKMHOEKEDFL-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.63
Rot. Bonds3

About 1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]pyrrolidin-3-amine

1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]pyrrolidin-3-amine (PubChem CID 142337278) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]pyrrolidin-3-amine
PubChem CID142337278
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]pyrrolidin-3-amine
SMILESNC1CCN(CCC2=CCC(F)C=C2)C1
InChIInChI=1S/C12H19FN2/c13-11-3-1-10(2-4-11)5-7-15-8-6-12(14)9-15/h1-3,11-12H,4-9,14H2
InChIKeyAPYRKMHOEKEDFL-UHFFFAOYSA-N
XLogP1.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]pyrrolidin-3-amine (CID 142337278) is 1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]pyrrolidin-3-amine is NC1CCN(CCC2=CCC(F)C=C2)C1.
What is the InChIKey of 1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]pyrrolidin-3-amine?
The InChIKey is APYRKMHOEKEDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c13-11-3-1-10(2-4-11)5-7-15-8-6-12(14)9-15/h1-3,11-12H,4-9,14H2.
What are the key properties of 1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]pyrrolidin-3-amine?
1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 210.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 142337278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).